Dataset

Clopyralid

This MassBank record with Accession MSBNK-Eawag-EQ00351605 contains the MS2 mass spectrum of Clopyralid with the InChIkey HUBANNPOLNYSAD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
SMILES OC(=O)C1=C(Cl)C=CC(Cl)=N1
InChI Key HUBANNPOLNYSAD-UHFFFAOYSA-N
Molecular Formula C6H3Cl2NO2
Exact Mass 190.954 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00351605
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:32:29.283664
MetadataModified 2025-02-09T09:32:29.446817
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB7186620 ChemicalBook
SCHEMBL54779 SureChEMBL
MCULE-3850879829 Mcule
15120812 PubChem: Thomson Pharma
1702-17-6 ACToR
10G14M0WDH FDA SRS
PD080601 ProbesDrugs
15553 PubChem
501658 eMolecules
DTXSID9029221 EPA CompTox Dashboard
J7.566C Nikkaji
ZINC000000139433 ZINC
CB53334998 ChemicalBook
HMDB0244780 Human Metabolome Database
CLOPYRALID rxnorm
CHEMBL1650605 ChEMBL
C18779 KEGG Ligand
62961 ChEBI
The data in this table is sourced from UniChem at EBI.